- InChI
- InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
- InChI Key
- GPTNSBLYGCZJQV-UHFFFAOYSA-N
- Formula
- C7H3F2NO4
- SMILES
-
O=C(O)c1cc(F)c([N+](=O)[O-])cc
1F - Molecular Weight1
- 203.10
- CAS
- 116465-48-6
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7739 | Relay (1.0) Calculated Property | |
| ΔfG° | -528.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.571 | Crippen Calculated Property | |
| McVol | 114.130 | ml/mol | McGowan Calculated Property |
| Pc | 4288.66 | kPa | Joback Calculated Property |
| Tboil | 523.59 | K | Relay (1.0) Calculated Property |
| Tc | 813.96 | K | Relay (1.0) Calculated Property |
| Tfus | 407.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.50; 312.48] | J/mol×K | [697.61; 913.71] | 
|
| Cp,gas | 280.50 | J/mol×K | 697.61 | Joback Calculated Property |
| Cp,gas | 287.01 | J/mol×K | 733.63 | Joback Calculated Property |
| Cp,gas | 293.03 | J/mol×K | 769.64 | Joback Calculated Property |
| Cp,gas | 298.57 | J/mol×K | 805.66 | Joback Calculated Property |
| Cp,gas | 303.64 | J/mol×K | 841.68 | Joback Calculated Property |
| Cp,gas | 308.28 | J/mol×K | 877.69 | Joback Calculated Property |
| Cp,gas | 312.48 | J/mol×K | 913.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,5-difluoro-4-nitro.
Sources
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